4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine

C9H7F3N4 — CID 172992549

IUPAC4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
SMILESNc1nncn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)6-2-1-3-7(4-6)16-5-14-15-8(16)13/h1-5H,(H2,13,15)
InChIKeyAIWNNEBLXMHVNO-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.87
Rot. Bonds1

About 4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine

4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine (PubChem CID 172992549) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
PubChem CID172992549
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
SMILESNc1nncn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)6-2-1-3-7(4-6)16-5-14-15-8(16)13/h1-5H,(H2,13,15)
InChIKeyAIWNNEBLXMHVNO-UHFFFAOYSA-N
XLogP1.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-one
CID 141050527
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 56719692
2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 140722626
3-amino-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
CID 64571294
3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 43381303
3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 18439300
4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 59436157
3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride
CID 122715031
1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 71287829
1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 151593977
5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole
CID 3727571
1-[3-(trifluoromethyl)phenyl]-2H-imidazole
CID 158517979

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine (CID 172992549) is 4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine is Nc1nncn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The InChIKey is AIWNNEBLXMHVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)6-2-1-3-7(4-6)16-5-14-15-8(16)13/h1-5H,(H2,13,15).
What are the key properties of 4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine has a molecular weight of 228.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 172992549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).